(E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one

C14H14N2O3 — CID 7996532

IUPAC(E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one
SMILESCOc1cccc(/C=C/C(=O)n2ccnc2)c1OC
InChIInChI=1S/C14H14N2O3/c1-18-12-5-3-4-11(14(12)19-2)6-7-13(17)16-9-8-15-10-16/h3-10H,1-2H3/b7-6+
InChIKeyFUDLPTVVMRJXRB-VOTSOKGWSA-N
MW258.28 g/mol
LogP2.25
Rot. Bonds4

About (E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one

(E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one (PubChem CID 7996532) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one
PubChem CID7996532
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one
SMILESCOc1cccc(/C=C/C(=O)n2ccnc2)c1OC
InChIInChI=1S/C14H14N2O3/c1-18-12-5-3-4-11(14(12)19-2)6-7-13(17)16-9-8-15-10-16/h3-10H,1-2H3/b7-6+
InChIKeyFUDLPTVVMRJXRB-VOTSOKGWSA-N
XLogP2.25
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone
CID 94274471
(E)-3-(2,3-dimethoxyphenyl)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 7831061
(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163798
(E)-N-(4-acetamidophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7945153
3-(2,3-dimethoxyphenyl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 75269388
(E)-3-(2,3-dimethoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9153861
(E)-1-(4-imidazol-1-ylphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 19569707
1-(3,4-dichlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
CID 5063512
(E)-N-[4-(carbamoylamino)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46518654
(E)-3-(2,3-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 2677492
(E)-3-(4-aminophenyl)-1-imidazol-1-ylprop-2-en-1-one
CID 147404534
(E)-1-(2-bromophenyl)-3-(2,3-dimethoxyphenyl)prop-2-en-1-one
CID 7947000

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one (CID 7996532) is (E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one is COc1cccc(/C=C/C(=O)n2ccnc2)c1OC.
What is the InChIKey of (E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one?
The InChIKey is FUDLPTVVMRJXRB-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-12-5-3-4-11(14(12)19-2)6-7-13(17)16-9-8-15-10-16/h3-10H,1-2H3/b7-6+.
What are the key properties of (E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one?
(E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one has a molecular weight of 258.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dimethoxyphenyl)-1-imidazol-1-ylprop-2-en-1-one is sourced from PubChem (CID 7996532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).